UCSF

ZINC11997657

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2008 22 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) 0.68 -8.31 -23.85 1 7 0 101 344.414 4

Activity (Go SEA)

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