UCSF

ZINC34823042

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2009 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) 2.00 8.9 -103.29 3 4 2 39 272.396 4
Hi High (pH 8-9.5) 2.00 7.66 -7.25 1 4 0 33 270.38 4
Mid Mid (pH 6-8) 2.00 9.11 -42.15 2 4 1 38 271.388 4

Activity (Go SEA)

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