UCSF

ZINC36156953

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 30 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) 2.69 7.45 -56.04 3 7 1 93 432.566 9
Hi High (pH 8-9.5) 3.15 4.89 -52.66 2 7 0 96 431.558 9

Activity (Go SEA)

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