UCSF

ZINC20910241

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 28 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) 3.65 13.12 -90.06 2 4 2 25 386.628 8
Hi High (pH 8-9.5) 3.65 12.8 -112.87 2 4 2 25 386.628 8
Hi High (pH 8-9.5) 3.65 10.6 -40.99 1 4 1 24 385.62 8
Lo Low (pH 4.5-6) 3.65 13.55 -161.94 3 4 3 26 387.636 8

Activity (Go SEA)

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