UCSF

ZINC37796915

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 12 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) -1.72 0.14 -78.64 4 5 0 97 174.2 6
Lo Low (pH 4.5-6) -1.72 -1.83 -51.39 5 5 1 94 175.208 6

Activity (Go SEA)

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