UCSF

ZINC37817161

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 1.81 7.63 -40.01 2 4 1 50 278.42 7
Lo Low (pH 4.5-6) 1.81 7.34 -80.85 3 4 2 51 279.428 7

Activity (Go SEA)

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