UCSF

ZINC39543658

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 32 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) 4.10 10.17 -9.49 2 6 0 52 426.568 4
Mid Mid (pH 6-8) 4.10 12.23 -35.09 3 6 1 53 427.576 4

Activity (Go SEA)

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