UCSF

ZINC43894251

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 17 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) 2.05 7.01 -109.29 3 3 2 34 237.391 6
Mid Mid (pH 6-8) 2.05 6.12 -34.93 2 3 1 29 236.383 6

Activity (Go SEA)

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