UCSF

ZINC35765292

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 18 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) 2.67 7.08 -125.96 4 2 2 32 252.377 5
Hi High (pH 8-9.5) 2.67 6.71 -31.38 3 2 1 30 251.369 5
Mid Mid (pH 6-8) 2.67 5.47 -47.07 3 2 1 31 251.369 5

Activity (Go SEA)

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