UCSF

ZINC01845463

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 12 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) 0.43 2.65 -8.04 4 5 0 81 167.216 1
Lo Low (pH 4.5-6) 0.43 2.88 -24.21 5 5 1 82 168.224 1
Lo Low (pH 4.5-6) 0.43 -0.85 -25 5 5 1 82 168.224 1

Activity (Go SEA)

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