UCSF

ZINC19846979

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) 0.88 7.91 -61.93 2 5 1 81 271.344 7
Mid Mid (pH 6-8) 0.88 5.51 -19.38 1 5 0 80 270.336 7

Activity (Go SEA)

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