UCSF

ZINC43446167

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 18 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) 2.35 8.88 -95.82 3 4 2 47 260.422 11
Mid Mid (pH 6-8) 2.35 7.84 -31.81 2 4 1 43 259.414 11

Activity (Go SEA)

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