UCSF

ZINC06238984

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 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) 3.65 8.71 -57.67 0 5 -1 70 405.257 6
Mid Mid (pH 6-8) 3.06 -0.3 -10.26 0 5 0 63 406.265 6
Lo Low (pH 4.5-6) 3.65 7.88 -13.2 1 5 0 67 406.265 6

Activity (Go SEA)

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