UCSF

ZINC32196708

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 19 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) 0.75 1.53 -45.93 2 5 1 57 304.461 5
Lo Low (pH 4.5-6) 0.75 3.9 -121.33 3 5 2 58 305.469 5

Activity (Go SEA)

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