UCSF

ZINC20523774

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 14 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) -0.37 2.08 -34.02 4 4 1 60 198.29 3
Hi High (pH 8-9.5) -0.37 -0.3 -8.19 3 4 0 58 197.282 3
Lo Low (pH 4.5-6) -0.37 2.22 -99.39 5 4 2 64 199.298 3

Activity (Go SEA)

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