UCSF

ZINC13284858

Substance Information

In ZINC since Heavy atoms Benign functionality
June 15th, 2008 15 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) -3.47 0.77 -102.82 6 7 1 127 213.217 5
Mid Mid (pH 6-8) -3.78 -2.78 -54.16 4 7 -1 127 211.201 5
Mid Mid (pH 6-8) -3.47 0.85 -67.8 5 7 0 126 212.209 5

Activity (Go SEA)

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