UCSF

ZINC37786110

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 3.60 6.12 -46.52 2 4 1 42 284.383 4
Mid Mid (pH 6-8) 3.60 3.84 -9.06 1 4 0 41 283.375 4

Activity (Go SEA)

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