UCSF

ZINC10056641

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2007 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) 2.16 0.22 -23.41 1 8 0 88 391.357 4
Lo Low (pH 4.5-6) 2.16 -0.13 -44.95 2 8 1 89 392.365 4

Activity (Go SEA)

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