UCSF

ZINC20128699

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 3.14 8.06 -35.07 2 3 1 26 277.432 8
Mid Mid (pH 6-8) 3.14 7.22 -44.61 2 3 1 29 277.432 8

Activity (Go SEA)

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