UCSF

ZINC45647835

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 16 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) 0.76 3.27 -51.63 1 6 -1 87 224.24 6
Lo Low (pH 4.5-6) 0.76 3.43 -42.5 2 6 0 88 225.248 6

Activity (Go SEA)

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