UCSF

ZINC74713401

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2012 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) 2.77 8.88 -42.26 2 4 1 37 290.431 5
Hi High (pH 8-9.5) 2.77 6.48 -8.71 1 4 0 36 289.423 5
Mid Mid (pH 6-8) 2.77 8.98 -71.89 3 4 0 38 291.439 5

Activity (Go SEA)

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