UCSF

ZINC20596055

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 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) 1.17 5.39 -109.29 4 3 2 35 261.413 4
Hi High (pH 8-9.5) 1.17 5.03 -34.98 3 3 1 34 260.405 4
Mid Mid (pH 6-8) 1.17 2.82 -1.85 2 3 0 32 259.397 4
Mid Mid (pH 6-8) 1.17 3.2 -44.57 3 3 1 34 260.405 4
Mid Mid (pH 6-8) 1.17 5.28 -121.84 4 3 2 35 261.413 4
Mid Mid (pH 6-8) 1.17 4.9 -30.08 3 3 1 34 260.405 4

Activity (Go SEA)

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