UCSF

ZINC15880049

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2008 28 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) 2.18 4.35 -18.58 3 10 0 149 446.217 5
Mid Mid (pH 6-8) 3.09 2.94 -44.61 2 10 -1 156 445.209 5
Mid Mid (pH 6-8) 2.64 2.47 -42.31 2 10 -1 152 445.209 5
Mid Mid (pH 6-8) 3.09 2 -39.57 2 10 -1 156 445.209 5

Activity (Go SEA)

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