UCSF

ZINC32734050

Substance Information

In ZINC since Heavy atoms Benign functionality
May 8th, 2009 31 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) 3.47 12.31 -46.03 2 5 1 54 426.556 7
Hi High (pH 8-9.5) 3.47 10.08 -11.18 1 5 0 53 425.548 7

Activity (Go SEA)

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