UCSF

ZINC05781199

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2006 19 No

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) 2.02 5.1 -99.28 0 6 -2 96 360.214 5
Mid Mid (pH 6-8) 2.02 5.22 -52.85 1 6 -1 94 361.222 5

Activity (Go SEA)

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