UCSF

ZINC21578366

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 36 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) 3.89 11.41 -50.95 1 8 0 96 486.572 8
Hi High (pH 8-9.5) 3.44 10.12 -24.81 1 8 0 92 486.572 8
Mid Mid (pH 6-8) 3.89 9.05 -50.68 0 8 -1 95 485.564 8
Mid Mid (pH 6-8) 3.44 12.48 -65.66 2 8 1 93 487.58 8

Activity (Go SEA)

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