UCSF

ZINC32936622

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2009 30 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) 3.87 11.07 -22.46 1 6 0 65 399.45 4
Mid Mid (pH 6-8) 3.87 11.5 -39.61 2 6 1 66 400.458 4

Activity (Go SEA)

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