UCSF

ZINC05686783

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 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) 1.30 5.08 -14.19 2 5 0 71 216.244 3
Hi High (pH 8-9.5) 1.30 4.9 -39.34 1 5 -1 69 215.236 3
Mid Mid (pH 6-8) 1.30 5.08 -6.41 2 5 0 71 216.244 3

Activity (Go SEA)

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