UCSF

ZINC31978288

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 0.36 3.33 -14.77 1 5 0 74 188.19 0
Hi High (pH 8-9.5) 0.82 2.24 -40.1 0 5 -1 78 187.182 0

Activity (Go SEA)

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