UCSF

ZINC43460958

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) 3.82 4.97 -34.59 2 4 -1 66 367.024 1
Mid Mid (pH 6-8) 3.82 6.21 -5.44 3 4 0 68 368.032 1

Activity (Go SEA)

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