UCSF

ZINC36124657

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 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) 1.49 7.96 -104.5 2 5 2 42 295.427 5
Mid Mid (pH 6-8) 1.49 5.87 -41.95 1 5 1 41 294.419 5
Mid Mid (pH 6-8) 1.49 5.49 -40.33 1 5 1 41 294.419 5

Activity (Go SEA)

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