UCSF

ZINC20093816

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 3.51 9.28 -36.85 2 2 1 16 269.412 6
Mid Mid (pH 6-8) 3.51 8.43 -39.81 2 2 1 20 269.412 6
Mid Mid (pH 6-8) 3.51 7.61 -2.98 1 2 0 15 268.404 6
Lo Low (pH 4.5-6) 3.51 10.68 -130.72 3 2 2 21 270.42 6

Activity (Go SEA)

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