UCSF

ZINC34556809

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 12 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) 0.98 4.6 -111.12 4 2 2 32 170.3 2
Hi High (pH 8-9.5) 0.98 2.56 -41.87 3 2 1 31 169.292 2
Mid Mid (pH 6-8) 0.98 4.28 -29.74 3 2 1 30 169.292 2

Activity (Go SEA)

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