UCSF

ZINC42777168

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 18 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) 2.35 6.74 -38.98 2 4 1 38 253.414 5
Hi High (pH 8-9.5) 2.35 6.25 -24.59 2 4 1 34 253.414 5
Hi High (pH 8-9.5) 2.35 6.12 -4.94 1 4 0 33 252.406 5
Mid Mid (pH 6-8) 2.35 6.88 -92.34 3 4 2 39 254.422 5

Activity (Go SEA)

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