UCSF

ZINC20767051

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 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) 2.95 6.82 -48.8 3 6 1 66 407.416 6
Hi High (pH 8-9.5) 2.95 6.84 -52.77 3 6 1 66 407.416 6
Hi High (pH 8-9.5) 2.95 4.58 -15.26 2 6 0 65 406.408 6

Activity (Go SEA)

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