UCSF

ZINC37871267

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 12 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) 0.19 4.08 -36.04 2 3 1 40 170.28 6
Mid Mid (pH 6-8) 0.19 2.82 -44.38 2 3 1 44 170.28 6
Mid Mid (pH 6-8) 0.19 5.29 -104.03 3 3 2 45 171.288 6

Activity (Go SEA)

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