UCSF

ZINC32865781

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2009 22 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) 3.15 6.39 -15.52 1 4 0 45 341.839 5
Mid Mid (pH 6-8) 3.16 9.01 -43.3 2 4 1 46 342.847 5
Mid Mid (pH 6-8) 2.97 7.93 -30.73 1 4 0 53 341.839 5

Activity (Go SEA)

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