UCSF

ZINC70514446

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 20 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) 1.50 4.59 -40.27 3 4 1 49 279.404 9
Hi High (pH 8-9.5) 1.50 2.14 -3.32 2 4 0 45 278.396 9
Mid Mid (pH 6-8) 1.50 4.58 -30.56 3 4 1 46 279.404 9
Lo Low (pH 4.5-6) 1.50 4.73 -104.5 4 4 2 51 280.412 9

Activity (Go SEA)

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