UCSF

ZINC26944613

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 31 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) -1.94 -0.84 -71.94 3 9 -1 129 434.444 7
Mid Mid (pH 6-8) -1.94 1.37 -100.78 4 9 0 130 435.452 7
Mid Mid (pH 6-8) -4.52 -1.8 -33.01 4 9 0 132 435.452 6

Activity (Go SEA)

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