UCSF

ZINC32320500

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2009 23 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) 3.46 9.6 -11.15 0 4 0 36 305.381 3
Lo Low (pH 4.5-6) 3.46 9.87 -42.29 1 4 1 38 306.389 3

Activity (Go SEA)

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