UCSF

ZINC37797916

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) 1.90 5.23 -43.24 3 4 1 57 265.377 7
Mid Mid (pH 6-8) 1.90 4.9 -8.58 2 4 0 56 264.369 7

Activity (Go SEA)

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