UCSF

ZINC27671051

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 25 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) 4.68 10.16 -17.44 1 5 0 68 373.865 7
Mid Mid (pH 6-8) 4.68 9.99 -40.92 0 5 -1 66 372.857 7

Activity (Go SEA)

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