UCSF

ZINC01033513

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 24 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) 3.97 6.93 -7.92 1 4 0 49 352.406 4
Mid Mid (pH 6-8) 3.97 6.96 -45.56 0 4 -1 51 351.398 4

Activity (Go SEA)

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