UCSF

ZINC19944938

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 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) 3.95 6.3 -46.4 3 3 1 46 329.258 4
Mid Mid (pH 6-8) 3.95 7.06 -59.31 2 3 0 49 328.25 4

Activity (Go SEA)

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