UCSF

ZINC37318647

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 21 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) 2.23 6.07 -32.77 2 3 1 20 306.396 5
Mid Mid (pH 6-8) 2.23 4.72 -41.07 2 3 1 23 306.396 5
Mid Mid (pH 6-8) 2.23 8.19 -82.6 3 3 2 21 307.404 5
Lo Low (pH 4.5-6) 2.23 7.09 -106.49 3 3 2 24 307.404 5

Activity (Go SEA)

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