UCSF

ZINC44244201

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 20 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) 0.81 1.04 -42.1 2 6 1 67 364.289 5
Mid Mid (pH 6-8) 0.81 0.92 -46.26 2 6 1 67 364.289 5
Mid Mid (pH 6-8) 0.81 -1.33 -8.48 1 6 0 66 363.281 5

Activity (Go SEA)

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