UCSF

ZINC19819485

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 35 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) 2.99 16.16 -20.8 1 8 0 85 482.466 8
Mid Mid (pH 6-8) 2.99 16.64 -43.17 2 8 1 86 483.474 8

Activity (Go SEA)

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