UCSF

ZINC20967870

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 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) 4.22 9.01 -32.15 2 3 1 26 358.344 11
Mid Mid (pH 6-8) 4.22 8.03 -39.23 2 3 1 29 358.344 11

Activity (Go SEA)

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