UCSF

ZINC20411120

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 36 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.56 12.89 -46.73 3 7 1 92 493.624 6
Hi High (pH 8-9.5) 4.56 13.52 -56.94 2 7 0 94 492.616 6
Mid Mid (pH 6-8) 4.56 12.89 -87.08 3 7 1 92 493.624 6

Activity (Go SEA)

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