UCSF

ZINC48285641

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 25 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) 4.18 12.32 -50.61 2 3 1 33 332.471 5
Hi High (pH 8-9.5) 4.18 11.1 -7.21 1 3 0 28 331.463 5
Mid Mid (pH 6-8) 4.18 12.75 -103.24 3 3 2 34 333.479 5

Activity (Go SEA)

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