UCSF

ZINC32509033

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2009 20 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) 1.47 4.11 -89.94 4 4 2 54 293.798 3
Hi High (pH 8-9.5) 1.47 3.71 -48.85 3 4 1 53 292.79 3

Activity (Go SEA)

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