UCSF

ZINC19511887

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 17 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) 1.38 4.8 -113.32 4 3 2 35 300.244 3
Mid Mid (pH 6-8) 1.38 2.33 -41.54 3 3 1 34 299.236 3

Activity (Go SEA)

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