UCSF

ZINC08837033

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 37 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.09 8.09 -57.85 1 9 -1 115 529.013 10
Mid Mid (pH 6-8) 2.51 -0.82 -53.01 2 9 1 110 531.029 10
Mid Mid (pH 6-8) 3.09 10.35 -71.79 2 9 0 116 530.021 10
Mid Mid (pH 6-8) 3.18 10.69 -52.83 1 9 0 113 530.021 10
Mid Mid (pH 6-8) 3.18 10.73 -53.25 1 9 0 113 530.021 10
Lo Low (pH 4.5-6) 3.09 9.6 -54.58 3 9 1 113 531.029 10
Lo Low (pH 4.5-6) 3.18 9.91 -54.42 2 9 1 110 531.029 10
Lo Low (pH 4.5-6) 3.18 9.95 -53.73 2 9 1 110 531.029 10

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )