UCSF

ZINC31167312

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2009 30 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) 7.46 7.25 -18.35 4 4 0 81 412.57 14

Activity (Go SEA)

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