UCSF

ZINC34581407

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 14 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) 3.11 6.81 -38.04 2 2 1 20 234.15 4
Hi High (pH 8-9.5) 3.11 5.36 -2.05 1 2 0 15 233.142 4

Activity (Go SEA)

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