UCSF

ZINC10010448

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2007 21 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) 3.41 -2.56 -10.5 3 4 0 68 297.383 3
Lo Low (pH 4.5-6) 3.41 -2.47 -41.1 4 4 1 69 298.391 3

Activity (Go SEA)

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