UCSF

ZINC36614988

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 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) 1.86 3.98 -13.73 0 6 0 58 388.415 5
Mid Mid (pH 6-8) 1.86 6.2 -60.75 1 6 1 60 389.423 5

Activity (Go SEA)

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