UCSF

ZINC42443770

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 No

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) 0.64 4.87 -125.58 4 3 2 45 228.361 3
Mid Mid (pH 6-8) 0.64 4.43 -29.97 3 3 1 44 227.353 3

Activity (Go SEA)

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