UCSF

ZINC59452086

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2011 27 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) 1.15 13.35 -58.26 0 6 -1 78 372.351 5
Mid Mid (pH 6-8) 1.15 11.33 -10.79 1 6 0 75 373.359 5

Activity (Go SEA)

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