UCSF

ZINC45654187

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 21 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) 2.61 3.86 -45.26 3 5 1 63 316.422 5
Hi High (pH 8-9.5) 2.61 1.6 -44.37 1 5 -1 64 314.406 5
Mid Mid (pH 6-8) 2.61 4.06 -66.36 2 5 0 65 315.414 5

Activity (Go SEA)

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