UCSF

ZINC36722215

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 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) 0.69 3.23 -33.19 3 4 1 43 236.339 3
Mid Mid (pH 6-8) 0.69 3.12 -30.19 3 4 1 43 236.339 3
Mid Mid (pH 6-8) 0.69 0.86 -4.49 2 4 0 42 235.331 3

Activity (Go SEA)

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