UCSF

ZINC21664408

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 30 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) 1.85 4.92 -21.21 0 9 0 102 428.47 4
Mid Mid (pH 6-8) 1.85 7.21 -64.41 1 9 1 103 429.478 4

Activity (Go SEA)

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