UCSF

ZINC36771597

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 17 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) 0.34 3.87 -44.32 3 4 1 61 236.339 5
Mid Mid (pH 6-8) 0.34 3.6 -7.11 2 4 0 59 235.331 5
Lo Low (pH 4.5-6) 0.34 4.34 -89.56 4 4 2 62 237.347 5

Activity (Go SEA)

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