UCSF

ZINC16662699

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2008 18 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) 3.56 8.2 -34.1 2 2 1 16 312.275 5
Mid Mid (pH 6-8) 3.56 7.22 -34.33 2 2 1 20 312.275 5

Activity (Go SEA)

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