UCSF

ZINC09089210

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 35 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) 1.39 3.67 -65.33 1 10 -1 137 503.553 10
Mid Mid (pH 6-8) 1.84 3.4 -26.4 2 10 0 134 504.561 9

Activity (Go SEA)

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