UCSF

ZINC45685675

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 21 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) 3.59 6.87 -40.93 2 3 1 29 291.459 5
Lo Low (pH 4.5-6) 3.59 8.98 -114.48 3 3 2 30 292.467 5

Activity (Go SEA)

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