UCSF

ZINC05156892

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 26 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) 3.73 5.36 -11.15 2 6 0 77 354.406 6
Hi High (pH 8-9.5) 3.73 6.19 -48.6 1 6 -1 79 353.398 6
Mid Mid (pH 6-8) 3.73 6.12 -57.22 1 6 -1 79 353.398 6

Activity (Go SEA)

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