UCSF

ZINC34560617

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 19 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) 3.59 8.18 -39.14 2 2 1 30 247.321 1
Hi High (pH 8-9.5) 3.59 7.16 -6.8 1 2 0 28 246.313 1

Activity (Go SEA)

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