UCSF

ZINC32125592

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 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) 2.80 5.23 -50.54 4 4 1 66 279.404 6
Hi High (pH 8-9.5) 2.80 4.89 -11.21 3 4 0 64 278.396 6

Activity (Go SEA)

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