UCSF

ZINC24887432

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.30 10.55 -120.21 2 4 2 25 354.542 8
Hi High (pH 8-9.5) 2.30 8.25 -39.1 1 4 1 24 353.534 8
Mid Mid (pH 6-8) 2.30 10.86 -100.38 2 4 2 25 354.542 8

Activity (Go SEA)

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