UCSF

ZINC36156913

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) 2.96 6.67 -13.03 2 5 0 69 383.517 6
Mid Mid (pH 6-8) 2.96 9.28 -45.57 3 5 1 70 384.525 6

Activity (Go SEA)

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