UCSF

ZINC06258086

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2006 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) 2.24 6.5 -45.98 4 3 1 56 266.368 5
Lo Low (pH 4.5-6) 2.24 6.79 -97.79 5 3 2 58 267.376 5

Activity (Go SEA)

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