UCSF

ZINC35044885

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 20 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) 3.79 7.98 -38.21 2 4 1 52 345.257 8
Mid Mid (pH 6-8) 3.79 8.19 -5.55 1 4 0 48 344.249 8

Activity (Go SEA)

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