UCSF

ZINC37798831

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 2.57 6.74 -44.02 3 4 1 57 291.415 9
Mid Mid (pH 6-8) 2.57 6.45 -8.45 2 4 0 56 290.407 9

Activity (Go SEA)

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