UCSF

ZINC33578873

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.01 7.2 -56.84 4 4 1 70 407.346 6
Mid Mid (pH 6-8) 2.01 6.89 -8.71 3 4 0 68 406.338 6

Activity (Go SEA)

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