UCSF

ZINC76945767

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2012 48 No

CAS Number: 69558-55-0

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) -4.95 1.19 -212.39 16 18 1 338 680.784 22
Hi High (pH 8-9.5) -4.89 0.77 -144.14 15 18 0 334 679.776 23
Mid Mid (pH 6-8) -4.95 0.91 -144.3 15 18 0 337 679.776 22
Lo Low (pH 4.5-6) -4.89 -0.85 -197.8 17 18 2 333 681.792 23
Lo Low (pH 4.5-6) -4.95 -0.8 -198.66 17 18 2 335 681.792 22

Activity (Go SEA)

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

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