UCSF

ZINC37008676

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 2.20 2.89 -37.6 3 5 1 58 296.435 4
Hi High (pH 8-9.5) 2.20 1.64 -8.61 2 5 0 54 295.427 4
Mid Mid (pH 6-8) 2.20 5.28 -97.48 4 5 2 59 297.443 4

Activity (Go SEA)

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