UCSF

ZINC28813220

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 29 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) 3.52 6.04 -26.38 2 6 0 97 415.511 6
Mid Mid (pH 6-8) 3.52 6.48 -50.2 1 6 -1 99 414.503 6

Activity (Go SEA)

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