UCSF

ZINC44686881

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 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) 2.71 6.9 -30.62 2 3 1 20 278.464 5
Hi High (pH 8-9.5) 2.71 7.92 -109.54 3 3 2 24 279.472 5
Hi High (pH 8-9.5) 2.71 6.74 -33.56 2 3 1 20 278.464 5
Mid Mid (pH 6-8) 2.71 9.16 -78.64 3 3 2 21 279.472 5

Activity (Go SEA)

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