UCSF

ZINC34679654

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 32 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) 3.08 10.22 -18.65 1 6 0 72 429.52 9
Lo Low (pH 4.5-6) 3.08 10.68 -51.27 2 6 1 73 430.528 9

Activity (Go SEA)

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