UCSF

ZINC40450020

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 17 Yes

CAS Number: 1206970-51-5

Download: MOL2 SDF SMILES Flexibase

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) -1.27 -1.05 -86.02 4 6 2 74 242.323 3
Hi High (pH 8-9.5) -0.90 0.01 -53.1 3 6 1 69 241.315 3
Hi High (pH 8-9.5) -1.27 -2.4 -38.8 3 6 1 69 241.315 3
Hi High (pH 8-9.5) -1.27 -4.88 -5.71 2 6 0 68 240.307 3
Hi High (pH 8-9.5) -1.27 -3.53 -39.94 3 6 1 73 241.315 3
Mid Mid (pH 6-8) -0.90 2.48 -93.4 4 6 2 70 242.323 3

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.