UCSF

ZINC22584088

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 18 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) 0.70 4.05 -47.58 3 5 1 69 247.322 6
Hi High (pH 8-9.5) 0.70 1.53 -12.61 2 5 0 68 246.314 6
Mid Mid (pH 6-8) 0.70 2.91 -54.09 3 5 1 73 247.322 6
Lo Low (pH 4.5-6) 0.70 5.4 -126.88 4 5 2 74 248.33 6

Activity (Go SEA)

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