UCSF

ZINC21517619

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 19 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) 2.94 8.53 -37.61 2 3 1 29 256.373 4
Hi High (pH 8-9.5) 2.94 6.3 -6.92 1 3 0 28 255.365 4
Mid Mid (pH 6-8) 2.94 8.97 -92.35 3 3 2 31 257.381 4

Activity (Go SEA)

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