UCSF

ZINC36283825

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 18 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) 1.12 -3.22 -42.55 3 6 -1 108 284.342 3
Hi High (pH 8-9.5) 1.12 -3.17 -101.34 2 6 -2 110 283.334 3
Mid Mid (pH 6-8) 0.67 -1.05 -41.55 3 6 -1 107 284.342 3
Mid Mid (pH 6-8) 0.67 -1.18 -10.95 4 6 0 105 285.35 3

Activity (Go SEA)

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