UCSF

ZINC19871834

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 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) 2.25 5.81 -13.78 1 4 0 63 260.318 3
Hi High (pH 8-9.5) 2.71 4.95 -44.88 0 4 -1 66 259.31 3
Mid Mid (pH 6-8) 2.25 5.21 -23.16 1 4 0 63 260.318 3

Activity (Go SEA)

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