UCSF

ZINC34301102

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2009 12 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) -0.16 -1.34 -9.48 2 4 0 61 175.228 6

Activity (Go SEA)

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