UCSF

ZINC05817409

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 21 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) 1.31 9.78 -11.11 4 9 0 121 292.347 5
Lo Low (pH 4.5-6) 1.31 10.1 -36.26 5 9 1 123 293.355 5

Activity (Go SEA)

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