UCSF

ZINC32013026

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 14 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) 0.99 0.41 -54.14 5 3 1 60 215.704 4
Hi High (pH 8-9.5) 0.99 -0.17 -5.14 4 3 0 58 214.696 4

Activity (Go SEA)

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