UCSF

ZINC36124642

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 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) 2.22 6.71 -41.23 1 4 1 28 284.468 5
Mid Mid (pH 6-8) 2.22 8.76 -108.29 2 4 2 29 285.476 5
Mid Mid (pH 6-8) 2.22 6.28 -41.52 1 4 1 28 284.468 5

Activity (Go SEA)

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