UCSF

ZINC06316311

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2006 25 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) 5.51 8.95 -49.96 0 4 -1 61 412.343 5
Mid Mid (pH 6-8) 6.44 9.24 -11.68 1 4 0 62 413.351 4

Activity (Go SEA)

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