UCSF

ZINC12974101

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 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) 3.23 7.51 -14.71 2 3 0 45 282.318 4
Mid Mid (pH 6-8) 3.29 6.21 -38.34 3 3 1 50 283.326 4

Activity (Go SEA)

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