UCSF

ZINC36787183

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 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) 1.71 8.08 -129.33 4 3 2 41 280.456 7
Mid Mid (pH 6-8) 1.71 7.6 -36.37 3 3 1 40 279.448 7
Mid Mid (pH 6-8) 1.71 6.43 -43.24 3 3 1 40 279.448 7

Activity (Go SEA)

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