UCSF

ZINC37813847

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 0.69 4.23 -46.5 3 6 1 83 275.369 11
Mid Mid (pH 6-8) 0.69 3.91 -9.47 2 6 0 82 274.361 11

Activity (Go SEA)

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