UCSF

ZINC70514608

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 20 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) 2.16 4.68 -79.46 4 4 2 51 288.476 12
Hi High (pH 8-9.5) 2.16 2.81 -33.67 3 4 1 49 287.468 12
Hi High (pH 8-9.5) 2.16 3.57 -33.54 3 4 1 46 287.468 12

Activity (Go SEA)

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