UCSF

ZINC36125050

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 24 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) 2.20 8.98 -48.99 1 5 1 37 334.484 7
Mid Mid (pH 6-8) 2.20 10.99 -118 2 5 2 38 335.492 7
Mid Mid (pH 6-8) 2.20 8.52 -47.64 1 5 1 37 334.484 7

Activity (Go SEA)

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