UCSF

ZINC19472784

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 13 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) 1.21 4.57 -93.24 5 3 2 56 185.315 4
Mid Mid (pH 6-8) -1.96 4.52 -29.86 5 3 1 56 184.307 4

Activity (Go SEA)

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