UCSF

ZINC39309094

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 35 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) 4.89 16.19 -79.12 2 7 2 66 515.441 8
Mid Mid (pH 6-8) 4.89 15.68 -45.89 1 7 1 65 514.433 8
Mid Mid (pH 6-8) 4.89 15.68 -38.91 1 7 1 65 514.433 8
Mid Mid (pH 6-8) 4.89 15.16 -13.66 0 7 0 63 513.425 8

Activity (Go SEA)

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