UCSF

ZINC37792713

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 15 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) 0.04 1.34 -59.02 2 5 -1 89 216.257 6
Lo Low (pH 4.5-6) 0.04 -1.14 -8.05 3 5 0 87 217.265 6

Activity (Go SEA)

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