UCSF

ZINC22935673

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 34 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) 4.20 8.78 -48.27 1 7 1 66 477.459 6
Hi High (pH 8-9.5) 4.20 5.94 -11.98 0 7 0 64 476.451 6
Lo Low (pH 4.5-6) 4.20 8.2 -47.35 1 7 1 66 477.459 6

Activity (Go SEA)

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