UCSF

ZINC33341808

Substance Information

In ZINC since Heavy atoms Benign functionality
May 30th, 2009 23 No

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) 3.30 6.85 -42.77 0 5 -1 66 324.385 5
Mid Mid (pH 6-8) 3.30 7.32 -13.73 1 5 0 64 325.393 5

Activity (Go SEA)

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