UCSF

ZINC20226674

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 17 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) 0.93 4.36 -127.51 4 4 2 51 240.347 6
Mid Mid (pH 6-8) 0.93 2.39 -48.64 3 4 1 49 239.339 6

Activity (Go SEA)

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