UCSF

ZINC37259872

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 16 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) 2.22 4.11 -42.23 4 3 1 57 227.372 5
Mid Mid (pH 6-8) 2.22 3.8 -6.26 3 3 0 55 226.364 5

Activity (Go SEA)

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