UCSF

ZINC16047397

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2008 32 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) 5.53 15.34 -14.28 1 5 0 60 442.588 9

Activity (Go SEA)

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