UCSF

ZINC33809423

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 24 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) 0.20 2.41 -25.3 1 7 0 83 332.356 4
Lo Low (pH 4.5-6) 0.20 4.78 -59.13 2 7 1 84 333.364 4

Activity (Go SEA)

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