UCSF

ZINC52304111

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 17 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) 1.96 6.01 -59.01 3 3 1 45 271.171 4
Hi High (pH 8-9.5) 1.96 5.62 -6.46 2 3 0 44 270.163 4
Lo Low (pH 4.5-6) 1.96 6.57 -116.19 4 3 2 47 272.179 4

Activity (Go SEA)

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