UCSF

ZINC22936950

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 19 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) 2.20 6.16 -79.71 2 4 0 60 262.353 6
Mid Mid (pH 6-8) 2.20 7.17 -72.86 2 4 0 57 262.353 6
Lo Low (pH 4.5-6) 2.20 8.48 -145.67 3 4 1 61 263.361 6

Activity (Go SEA)

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