UCSF

ZINC09359105

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 32 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) 3.42 10.86 -41.71 0 6 -1 83 427.48 6
Mid Mid (pH 6-8) 3.87 9.67 -25.52 1 6 0 80 428.488 5
Mid Mid (pH 6-8) 2.84 10.9 -18.89 0 6 0 77 428.488 6
Lo Low (pH 4.5-6) 2.84 11.18 -59.39 1 6 1 78 429.496 6
Lo Low (pH 4.5-6) 3.87 9.95 -63.53 2 6 1 81 429.496 5

Activity (Go SEA)

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