UCSF

ZINC13530242

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 12 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) 0.70 3.97 -45.32 4 3 1 56 168.264 6
Mid Mid (pH 6-8) 0.70 4.45 -83.19 5 3 2 58 169.272 6
Mid Mid (pH 6-8) 0.70 3.95 -46.46 4 3 1 56 168.264 6

Activity (Go SEA)

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