UCSF

ZINC37336118

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 16 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) 3.46 8.85 -36.53 1 2 1 22 285.205 5
Mid Mid (pH 6-8) 3.46 6.97 -7.34 0 2 0 20 284.197 5

Activity (Go SEA)

Rings

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