UCSF

ZINC37997412

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 21 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) 4.98 11.13 -44.11 2 1 1 17 345.235 4
Mid Mid (pH 6-8) 4.98 9.71 -4.49 1 1 0 12 344.227 4

Activity (Go SEA)

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