UCSF

ZINC17068762

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 25 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) 2.93 7.54 -58.54 1 6 -1 82 333.371 2
Mid Mid (pH 6-8) 2.92 9.32 -34.53 3 6 1 81 335.387 2
Mid Mid (pH 6-8) 2.92 8.2 -16.72 2 6 0 79 334.379 2

Activity (Go SEA)

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