UCSF

ZINC45650325

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 2.72 8.81 -111.86 3 2 2 21 234.387 5
Hi High (pH 8-9.5) 2.72 5.22 -1.98 1 2 0 15 232.371 5
Mid Mid (pH 6-8) 2.72 7.64 -31.17 2 2 1 16 233.379 5
Lo Low (pH 4.5-6) 2.72 6.39 -41.82 2 2 1 20 233.379 5

Activity (Go SEA)

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