UCSF

ZINC52573297

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 18 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) 3.40 5.58 -32.76 2 3 1 29 259.458 11
Hi High (pH 8-9.5) 3.40 7.44 -24.13 2 3 1 26 259.458 11
Hi High (pH 8-9.5) 3.40 5.44 -0.76 1 3 0 24 258.45 11
Mid Mid (pH 6-8) 3.40 7.4 -97.6 3 3 2 30 260.466 11

Activity (Go SEA)

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