UCSF

ZINC34938069

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 16 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) 1.84 6.13 -124.32 4 2 2 32 240.416 5
Mid Mid (pH 6-8) 1.84 4.3 -45.27 3 2 1 31 239.408 5
Mid Mid (pH 6-8) 1.84 5.76 -31.66 3 2 1 30 239.408 5

Activity (Go SEA)

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