UCSF

ZINC00930399

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 30 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) 3.71 7.92 -7.75 0 5 0 45 488.451 4
Lo Low (pH 4.5-6) 3.71 11.14 -92.13 2 5 2 48 490.467 4

Activity (Go SEA)

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