UCSF

ZINC44651049

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 17 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) -1.12 2.85 -72.45 2 6 0 80 243.307 6
Hi High (pH 8-9.5) -1.12 1.48 -47.48 1 6 -1 76 242.299 6
Mid Mid (pH 6-8) -1.12 5.06 -98.33 3 6 1 81 244.315 6

Activity (Go SEA)

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