UCSF

ZINC33684501

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 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) 6.16 13 -29.19 2 3 1 31 374.43 4
Mid Mid (pH 6-8) 6.16 12.6 -9.35 1 3 0 29 373.422 4

Activity (Go SEA)

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