UCSF

ZINC42767805

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 20 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) 1.23 7.3 -198.95 6 4 3 60 279.452 8
Hi High (pH 8-9.5) 1.23 3.82 -29.87 4 4 1 58 277.436 8
Mid Mid (pH 6-8) 1.23 5.27 -96.6 5 4 2 59 278.444 8
Mid Mid (pH 6-8) 1.23 6.13 -92.32 5 4 2 59 278.444 8

Activity (Go SEA)

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