UCSF

ZINC34651160

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 14 No

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) 1.10 3.26 -44.8 3 2 1 31 215.386 2
Lo Low (pH 4.5-6) 1.10 5.21 -115.04 4 2 2 32 216.394 2

Activity (Go SEA)

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