UCSF

ZINC20051666

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 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) 3.22 9.67 -43.66 1 7 1 59 425.582 2
Mid Mid (pH 6-8) 3.22 7.19 -7.74 0 7 0 58 424.574 2

Activity (Go SEA)

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