UCSF

ZINC32066872

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 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) 2.28 5.8 -117.29 4 3 2 41 303.244 6
Mid Mid (pH 6-8) 2.28 4 -45.17 3 3 1 40 302.236 6

Activity (Go SEA)

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