UCSF

ZINC19510864

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 15 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) -1.61 0.36 -49.89 4 5 0 97 211.217 4
Mid Mid (pH 6-8) -1.61 0.07 -53.44 3 5 -1 96 210.209 4

Activity (Go SEA)

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