UCSF

ZINC32008092

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 13 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) -0.65 -3.04 -4.72 2 4 0 45 188.271 5
Mid Mid (pH 6-8) -0.65 -1.54 -46.29 3 4 1 49 189.279 5
Lo Low (pH 4.5-6) -0.65 -0.72 -38.74 3 4 1 46 189.279 5

Activity (Go SEA)

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