UCSF

ZINC37308513

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 19 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) 0.75 5.8 -49.68 2 6 1 74 261.305 7
Mid Mid (pH 6-8) 0.75 4.44 -10.07 1 6 0 69 260.297 7

Activity (Go SEA)

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