UCSF

ZINC34581357

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 24 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) 6.06 13.16 -10.64 0 2 0 18 312.416 3
Mid Mid (pH 6-8) 6.06 13.92 -23.85 1 2 1 19 313.424 3

Activity (Go SEA)

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