UCSF

ZINC34523738

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 18 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) -3.66 -8.41 -45.18 7 8 1 136 265.286 5
Hi High (pH 8-9.5) -3.66 -8.84 -15.86 6 8 0 134 264.278 5

Activity (Go SEA)

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