UCSF

ZINC09281265

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 36 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) 3.26 10.32 -60.64 0 9 -1 122 504.544 10
Mid Mid (pH 6-8) 3.71 9.45 -33.6 1 9 0 119 505.552 9
Mid Mid (pH 6-8) 2.68 -0.16 -24.51 0 9 0 115 505.552 10
Lo Low (pH 4.5-6) 3.71 9.74 -69.84 2 9 1 120 506.56 9
Lo Low (pH 4.5-6) 2.68 -0.05 -60.48 1 9 1 117 506.56 10

Activity (Go SEA)

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