UCSF

ZINC35659536

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 13 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) 1.19 2.96 -41.76 3 2 1 31 183.319 5
Mid Mid (pH 6-8) 1.19 4.77 -26.22 3 2 1 30 183.319 5
Mid Mid (pH 6-8) 1.19 4.94 -108.12 4 2 2 32 184.327 5

Activity (Go SEA)

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