UCSF

ZINC36749327

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 16 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) 1.91 4.54 -4.9 3 4 0 56 222.336 2
Mid Mid (pH 6-8) 1.91 4.67 -24.5 4 4 1 57 223.344 2

Activity (Go SEA)

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