UCSF

ZINC36158612

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 20 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) 2.38 3.23 -41.35 3 4 0 76 294.351 4
Lo Low (pH 4.5-6) 2.38 3.18 -47.97 4 4 1 74 295.359 4

Activity (Go SEA)

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