UCSF

ZINC73090242

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2012 22 Yes

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) 2.87 8.4 -10.9 0 5 0 58 301.342 8
Lo Low (pH 4.5-6) 2.87 8.87 -41.13 1 5 1 59 302.35 8

Activity (Go SEA)

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