UCSF

ZINC04980601

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2006 27 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) 3.31 9.64 -52.25 0 5 -1 70 384.839 7
Mid Mid (pH 6-8) 3.76 -0.71 -27.61 1 5 0 66 385.847 6
Mid Mid (pH 6-8) 2.73 -0.47 -17.94 0 5 0 63 385.847 7

Activity (Go SEA)

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