UCSF

ZINC36980761

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 19 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) 2.40 7.39 -29.68 2 4 1 43 269.409 6
Mid Mid (pH 6-8) 2.40 5.62 -29.06 2 4 1 46 269.409 6
Lo Low (pH 4.5-6) 2.40 7.98 -96.18 3 4 2 47 270.417 6

Activity (Go SEA)

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