UCSF

ZINC53129607

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 15 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) 0.27 1.72 -48.54 2 5 1 68 205.241 4
Hi High (pH 8-9.5) 0.27 0.27 -7.94 1 5 0 64 204.233 4
Lo Low (pH 4.5-6) 0.27 2.18 -89.98 3 5 2 70 206.249 4

Activity (Go SEA)

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