UCSF

ZINC31164919

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2009 26 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) 4.50 9.5 -11.56 0 3 0 24 386.517 4
Mid Mid (pH 6-8) 4.50 11.83 -50.91 1 3 1 25 387.525 4

Activity (Go SEA)

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