UCSF

ZINC36203729

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 28 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) 2.45 7.8 -19.48 1 6 0 69 396.516 3
Mid Mid (pH 6-8) 2.45 10.02 -64.02 2 6 1 70 397.524 3

Activity (Go SEA)

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