UCSF

ZINC37878782

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 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) 1.32 3.94 -53.85 3 5 1 64 246.29 4
Hi High (pH 8-9.5) 1.32 2.57 -10.03 2 5 0 59 245.282 4
Hi High (pH 8-9.5) 1.32 2.6 -10.11 2 5 0 59 245.282 4
Mid Mid (pH 6-8) 1.32 3.98 -53.14 3 5 1 64 246.29 4

Activity (Go SEA)

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