UCSF

ZINC32156606

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 21 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) 0.71 5.12 -83.12 3 5 2 43 295.427 7
Hi High (pH 8-9.5) 0.71 2.53 -44.92 2 5 1 42 294.419 7
Hi High (pH 8-9.5) 0.71 1.13 -6.83 1 5 0 37 293.411 7

Activity (Go SEA)

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