UCSF

ZINC34370679

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 23 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) 2.59 5.29 -39.86 3 4 1 55 314.405 5
Hi High (pH 8-9.5) 2.59 3.86 -7.43 2 4 0 51 313.397 5

Activity (Go SEA)

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