UCSF

ZINC21295299

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 24 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) 4.39 7.78 -13.61 1 4 0 45 377.922 3
Hi High (pH 8-9.5) 4.46 6.52 -48.46 0 4 -1 52 376.914 3
Mid Mid (pH 6-8) 4.39 10.06 -46.17 2 4 1 46 378.93 3

Activity (Go SEA)

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