UCSF

ZINC58917664

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2011 24 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) 0.47 6.93 -42.9 2 7 1 74 341.476 8
Hi High (pH 8-9.5) 0.47 5.27 -12.13 1 7 0 73 340.468 8

Activity (Go SEA)

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