UCSF

ZINC42863639

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 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
Hi High (pH 8-9.5) 0.44 0.37 -46.6 3 4 1 47 267.422 4
Hi High (pH 8-9.5) 0.44 2.74 -39.84 3 4 1 47 267.422 4
Mid Mid (pH 6-8) 0.44 4.64 -99.29 4 4 2 48 268.43 4
Mid Mid (pH 6-8) 0.44 2.78 -116.07 4 4 2 48 268.43 4

Activity (Go SEA)

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