UCSF

ZINC35365780

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 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) 2.63 6.6 -32.41 3 3 1 34 264.437 8
Hi High (pH 8-9.5) 2.63 6.49 -31.2 3 3 1 34 264.437 8
Lo Low (pH 4.5-6) 2.63 8.62 -107.41 4 3 2 35 265.445 8

Activity (Go SEA)

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