UCSF

ZINC37925719

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 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) 1.39 6.17 -109.44 3 2 2 21 170.3 4
Hi High (pH 8-9.5) 1.39 4.17 -31.45 2 2 1 20 169.292 4
Mid Mid (pH 6-8) 1.39 5.08 -29.25 2 2 1 16 169.292 4

Activity (Go SEA)

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