UCSF

ZINC40013693

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2010 24 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) 2.40 8.1 -37.09 1 5 1 37 354.902 7
Mid Mid (pH 6-8) 2.40 8.19 -36.38 1 5 1 37 354.902 7
Mid Mid (pH 6-8) 2.40 5.91 -9.26 0 5 0 36 353.894 7

Activity (Go SEA)

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