UCSF

ZINC36124631

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) 0.89 6.3 -48.94 1 5 1 37 298.451 5
Mid Mid (pH 6-8) 0.89 8.32 -117.15 2 5 2 38 299.459 5
Mid Mid (pH 6-8) 0.89 5.85 -46.63 1 5 1 37 298.451 5

Activity (Go SEA)

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