UCSF

ZINC33010374

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2009 33 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) 2.97 6.31 -49.06 2 9 0 108 450.495 7
Mid Mid (pH 6-8) 2.97 6.05 -53.85 1 9 -1 107 449.487 7

Activity (Go SEA)

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