UCSF

ZINC36826842

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 21 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) 2.54 10.34 -30.9 3 2 1 30 287.471 4
Mid Mid (pH 6-8) 2.54 10.01 -123.18 4 2 2 32 288.479 4

Activity (Go SEA)

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