UCSF

ZINC36997929

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 19 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) 3.61 8.12 -4.91 1 2 0 25 274.795 5
Mid Mid (pH 6-8) 3.61 8.93 -39.77 2 2 1 29 275.803 5

Activity (Go SEA)

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