UCSF

ZINC43894096

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 21 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) 2.60 7.68 -38.09 2 3 1 33 284.427 7
Hi High (pH 8-9.5) 2.60 7.21 -4.03 1 3 0 28 283.419 7
Lo Low (pH 4.5-6) 2.60 8.14 -87.03 3 3 2 34 285.435 7

Activity (Go SEA)

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