UCSF

ZINC40952808

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 19 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) 1.88 10.59 -77.47 1 4 0 49 260.337 6
Hi High (pH 8-9.5) 1.88 8.11 -51.88 0 4 -1 48 259.329 6

Activity (Go SEA)

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