UCSF

ZINC36877769

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 2.12 8.11 -44.22 4 3 1 56 272.416 6
Hi High (pH 8-9.5) 2.12 7.82 -6.58 3 3 0 55 271.408 6
Lo Low (pH 4.5-6) 2.12 8.21 -116.52 5 3 2 58 273.424 6

Activity (Go SEA)

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