UCSF

ZINC19632920

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 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) 3.55 9.55 -29.75 1 3 1 17 291.459 11
Mid Mid (pH 6-8) 3.55 9.43 -32.09 1 3 1 17 291.459 11
Lo Low (pH 4.5-6) 3.55 11.37 -101.75 2 3 2 18 292.467 11

Activity (Go SEA)

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