UCSF

ZINC57425534

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2011 19 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) 2.29 3.18 -6.97 0 4 0 41 306.79 3
Mid Mid (pH 6-8) 2.29 5.42 -42.52 1 4 1 42 307.798 3

Activity (Go SEA)

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