UCSF

ZINC25097731

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 19 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) 3.90 8.93 -7.26 1 2 0 29 257.377 3
Lo Low (pH 4.5-6) 4.08 7.94 -32.94 2 2 1 34 258.385 3

Activity (Go SEA)

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