UCSF

ZINC27904567

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 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) 3.54 9.11 -42.97 2 4 1 37 374.505 6
Hi High (pH 8-9.5) 3.54 6.89 -12.86 1 4 0 36 373.497 6
Mid Mid (pH 6-8) 3.54 9.08 -40.6 2 4 1 37 374.505 6

Activity (Go SEA)

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