UCSF

ZINC21814609

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 19 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) 1.45 1.21 -41.2 2 6 -1 96 298.369 4
Mid Mid (pH 6-8) 2.38 1.79 -17.1 3 6 0 98 299.377 3
Lo Low (pH 4.5-6) 2.38 1.47 -37.7 4 6 1 99 300.385 3

Activity (Go SEA)

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