UCSF

ZINC36156598

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 27 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) 1.53 3.48 -14.52 2 7 0 88 395.525 10
Mid Mid (pH 6-8) 1.53 5.64 -52.01 3 7 1 89 396.533 10

Activity (Go SEA)

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