UCSF

ZINC36187945

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 26 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) 2.15 4.61 -39.37 3 7 1 89 359.45 8
Mid Mid (pH 6-8) 2.61 2.9 -55.42 2 7 0 92 358.442 8

Activity (Go SEA)

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