UCSF

ZINC21799883

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 17 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.39 6.8 -8.33 0 3 0 21 229.327 2
Mid Mid (pH 6-8) 2.39 8.74 -45.33 1 3 1 22 230.335 2
Mid Mid (pH 6-8) 2.39 7.22 -24.79 1 3 1 22 230.335 2
Lo Low (pH 4.5-6) 2.39 9.16 -102.2 2 3 2 24 231.343 2

Activity (Go SEA)

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