UCSF

ZINC37851700

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.26 3.7 -102.62 4 4 2 51 232.368 10
Mid Mid (pH 6-8) 0.26 1.22 -41.72 3 4 1 49 231.36 10

Activity (Go SEA)

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