UCSF

ZINC32111891

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 29 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) 5.20 6.14 -14.08 2 6 0 92 471.387 6
Hi High (pH 8-9.5) 5.20 6.2 -40.62 1 6 -1 94 470.379 6
Mid Mid (pH 6-8) 5.20 6.21 -41.89 1 6 -1 94 470.379 6

Activity (Go SEA)

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