UCSF

ZINC31978671

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 17 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) 1.63 7.52 -78.68 1 4 0 54 235.283 3
Hi High (pH 8-9.5) 1.63 5.11 -59.02 0 4 -1 53 234.275 3

Activity (Go SEA)

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