UCSF

ZINC20686077

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 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) 0.38 1.17 -17.98 1 8 0 82 388.534 6
Mid Mid (pH 6-8) 0.57 0.91 -44.37 2 8 1 87 389.542 6

Activity (Go SEA)

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