UCSF

ZINC33718238

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 27 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) 2.19 4.14 -58.91 2 8 -1 115 402.378 6
Mid Mid (pH 6-8) 2.19 4.44 -18.04 3 8 0 113 403.386 6

Activity (Go SEA)

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