UCSF

ZINC22022947

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 29 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) 4.64 10.25 -12.76 0 6 0 57 391.471 6
Lo Low (pH 4.5-6) 4.64 10.63 -32.51 1 6 1 58 392.479 6
Lo Low (pH 4.5-6) 4.64 10.35 -34.01 1 6 1 58 392.479 6

Activity (Go SEA)

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