UCSF

ZINC32558313

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 2.47 8.97 -78.85 2 3 2 12 281.488 3
Hi High (pH 8-9.5) 2.47 6.7 -31.91 1 3 1 11 280.48 3

Activity (Go SEA)

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