UCSF

ZINC22060611

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 32 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) 1.78 5.84 -48.24 4 10 1 125 438.464 3
Hi High (pH 8-9.5) 1.78 5.47 -23.64 3 10 0 123 437.456 3

Activity (Go SEA)

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