UCSF

ZINC38796306

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2010 29 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) 3.84 10.4 -48.89 1 5 1 41 394.491 4
Mid Mid (pH 6-8) 3.84 8.05 -11.92 0 5 0 40 393.483 4

Activity (Go SEA)

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