UCSF

ZINC37082102

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 2.09 8.83 -103.71 4 2 2 32 284.447 6
Hi High (pH 8-9.5) 2.09 6.97 -2.04 2 2 0 29 282.431 6
Hi High (pH 8-9.5) 2.09 7.28 -39.48 3 2 1 31 283.439 6
Mid Mid (pH 6-8) 2.09 8.58 -28.52 3 2 1 30 283.439 6

Activity (Go SEA)

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