UCSF

ZINC19904127

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 18 No

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) 1.19 5.39 -10.21 1 4 0 41 281.406 1
Hi High (pH 8-9.5) 1.64 4.95 -37.03 0 4 -1 44 280.398 1

Activity (Go SEA)

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