UCSF

ZINC35737189

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 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) 3.93 9.82 -41.87 0 3 -1 31 292.434 3
Mid Mid (pH 6-8) 3.20 9.63 -8.82 1 3 0 34 293.442 3

Activity (Go SEA)

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