UCSF

ZINC36877971

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 21 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) 2.70 5.66 -48.76 4 4 1 66 280.351 4
Mid Mid (pH 6-8) 2.70 5.96 -32.38 4 4 1 65 280.351 4
Mid Mid (pH 6-8) 2.70 5.37 -11.61 3 4 0 64 279.343 4
Lo Low (pH 4.5-6) 2.70 6.28 -124.02 5 4 2 67 281.359 4

Activity (Go SEA)

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