UCSF

ZINC43231633

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 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) 0.18 1.87 -115.14 6 6 2 93 295.431 7
Hi High (pH 8-9.5) 0.18 0.17 -11 4 6 0 90 293.415 7
Hi High (pH 8-9.5) 0.18 0.45 -56.7 5 6 1 92 294.423 7
Mid Mid (pH 6-8) 0.18 1.57 -36.59 5 6 1 91 294.423 7

Activity (Go SEA)

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