UCSF

ZINC48574787

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 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) 0.87 1.1 -14.97 1 5 0 53 241.335 3
Mid Mid (pH 6-8) 0.87 3.26 -50.47 2 5 1 54 242.343 3

Activity (Go SEA)

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