UCSF

ZINC41664265

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 21 Yes

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) 2.62 5.81 -51.97 1 3 -1 52 290.22 2
Mid Mid (pH 6-8) 2.62 5.05 -14.77 2 3 0 49 291.228 2

Activity (Go SEA)

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