UCSF

ZINC21603410

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 25 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) 2.85 5.15 -46.75 1 7 -1 96 354.415 6
Mid Mid (pH 6-8) 2.40 6.85 -14.19 2 7 0 93 355.423 6

Activity (Go SEA)

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