UCSF

ZINC20128877

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 19 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 8.86 -34.99 2 2 1 16 279.473 7
Mid Mid (pH 6-8) 3.14 8.02 -45.25 2 2 1 20 279.473 7

Activity (Go SEA)

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