UCSF

ZINC24245246

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2009 20 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) 0.19 5.43 -44.93 1 7 1 61 277.352 4
Mid Mid (pH 6-8) 0.19 3.06 -7.53 0 7 0 59 276.344 4

Activity (Go SEA)

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