UCSF

ZINC04340241

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2005 28 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) 4.52 4.36 -17.87 0 6 0 68 381.428 6

Activity (Go SEA)

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