UCSF

ZINC49560712

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 20 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) 0.37 3.6 -83.2 4 5 2 53 284.448 5
Hi High (pH 8-9.5) 0.37 2.25 -39.97 3 5 1 49 283.44 5

Activity (Go SEA)

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