UCSF

ZINC34678947

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 35 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) 1.19 9.71 -22.7 1 9 0 100 474.565 9
Lo Low (pH 4.5-6) 1.19 10.18 -51.66 2 9 1 102 475.573 9

Activity (Go SEA)

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