UCSF

ZINC33580794

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 26 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) 4.13 7.43 -9.45 1 4 0 51 348.446 3
Lo Low (pH 4.5-6) 4.13 8.69 -29.72 2 4 1 52 349.454 3

Activity (Go SEA)

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