UCSF

ZINC32150186

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 15 Yes

CAS Number: 16790-49-1

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) 0.25 -2.79 -18.31 3 7 0 115 250.305 4
Mid Mid (pH 6-8) 0.25 -2.3 -50.73 2 7 -1 113 249.297 4

Activity (Go SEA)

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