UCSF

ZINC25397460

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 28 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.87 9.99 -11.41 0 5 0 41 392.528 4
Mid Mid (pH 6-8) 2.87 12.32 -44.02 1 5 1 43 393.536 4

Activity (Go SEA)

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