UCSF

ZINC26473528

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 20 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) 2.37 7.17 -41.74 1 6 -1 91 312.758 6
Hi High (pH 8-9.5) 2.37 6.24 -99.25 0 6 -2 89 311.75 6
Mid Mid (pH 6-8) 2.37 7.23 -45.19 1 6 -1 91 312.758 6

Activity (Go SEA)

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