UCSF

ZINC32682195

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2009 27 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) 4.46 11.06 -13.35 1 4 0 63 391.577 6
Hi High (pH 8-9.5) 4.46 11.13 -49.37 0 4 -1 65 390.569 6

Activity (Go SEA)

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