UCSF

ZINC51398212

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.15 4.28 -42.56 3 4 1 53 236.339 4
Hi High (pH 8-9.5) 1.15 3.88 -5.39 2 4 0 51 235.331 4
Mid Mid (pH 6-8) 1.15 4.18 -25.07 3 4 1 53 236.339 4
Lo Low (pH 4.5-6) 1.15 4.55 -107.76 4 4 2 54 237.347 4

Activity (Go SEA)

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