UCSF

ZINC49199992

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2010 15 No

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) -1.54 -2.71 -15.75 3 6 0 87 213.237 4
Mid Mid (pH 6-8) -1.36 -4.18 -40.62 3 6 0 98 213.237 4
Mid Mid (pH 6-8) -1.54 -1.73 -51.9 4 6 1 92 214.245 4
Mid Mid (pH 6-8) -1.54 -1.64 -47.58 4 6 1 92 214.245 4
Lo Low (pH 4.5-6) -1.36 -4.26 -44.89 3 6 0 98 213.237 4

Activity (Go SEA)

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