UCSF

ZINC34884396

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 25 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) 2.36 9.28 -50.63 2 4 1 40 344.385 3
Hi High (pH 8-9.5) 2.36 7.98 -10.79 1 4 0 36 343.377 3

Activity (Go SEA)

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