UCSF

ZINC44414826

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2010 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) 1.44 5.19 -58.15 1 5 -1 76 251.306 6
Mid Mid (pH 6-8) 1.44 2.77 -29.01 2 5 0 78 252.314 6
Mid Mid (pH 6-8) 1.44 4.18 -11.37 2 5 0 74 252.314 6

Activity (Go SEA)

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