UCSF

ZINC04523423

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 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) -1.36 -9.26 -52.47 5 7 1 111 354.124 2

Activity (Go SEA)

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