UCSF

ZINC21789106

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 5.58 7.52 -34.88 1 2 -1 35 364.079 5
Mid Mid (pH 6-8) 5.58 6.87 -4.03 2 2 0 32 365.087 5
Lo Low (pH 4.5-6) 5.58 8.35 -46.07 3 2 1 37 366.095 5

Activity (Go SEA)

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