UCSF

ZINC22920035

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) 2.40 9.13 -56.13 2 9 1 84 469.61 7
Hi High (pH 8-9.5) 2.40 6.89 -20.61 1 9 0 83 468.602 7
Hi High (pH 8-9.5) 2.40 9.12 -53.49 2 9 1 84 469.61 7

Activity (Go SEA)

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