UCSF

ZINC40735599

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 17 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) 3.65 4.68 -4.5 2 2 0 32 312.232 5
Mid Mid (pH 6-8) 3.65 6.03 -49.97 3 2 1 37 313.24 5

Activity (Go SEA)

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