UCSF

ZINC06240636

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2006 18 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) 6.02 6.52 -5.46 2 3 0 45 370.044 3
Mid Mid (pH 6-8) 6.02 7.28 -39.53 1 3 -1 47 369.036 3

Activity (Go SEA)

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