UCSF

ZINC32022347

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 18 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) -2.57 3.02 -64.84 4 5 0 97 250.298 5
Mid Mid (pH 6-8) -2.57 2.67 -56.82 3 5 -1 95 249.29 5

Activity (Go SEA)

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