UCSF

ZINC51952911

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2010 23 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) 3.94 9.88 -33.66 1 3 1 17 317.497 6
Mid Mid (pH 6-8) 3.94 9.7 -38.58 1 3 1 17 317.497 6
Mid Mid (pH 6-8) 3.94 12.11 -102.67 2 3 2 18 318.505 6

Activity (Go SEA)

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