UCSF

ZINC23283573

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 16 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) 2.52 7.77 -35.13 1 2 1 8 221.368 7
Mid Mid (pH 6-8) 2.52 7.58 -32.88 1 2 1 8 221.368 7
Lo Low (pH 4.5-6) 2.52 9.98 -109.72 2 2 2 9 222.376 7

Activity (Go SEA)

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