UCSF

ZINC26397473

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 37 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) 5.05 11.24 -45.52 1 9 -1 117 495.563 11
Mid Mid (pH 6-8) 5.05 11.87 -67.56 2 9 0 118 496.571 11
Lo Low (pH 4.5-6) 5.05 11.35 -16.45 2 9 0 119 496.571 11
Lo Low (pH 4.5-6) 5.05 12 -44.21 3 9 1 120 497.579 11

Activity (Go SEA)

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