UCSF

ZINC31958958

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 24 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) 0.78 4.12 -67.24 4 7 1 93 325.348 3
Mid Mid (pH 6-8) 0.78 3.73 -22.06 3 7 0 91 324.34 3
Mid Mid (pH 6-8) 0.78 4.52 -99.1 5 7 2 94 326.356 3

Activity (Go SEA)

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