UCSF

ZINC44106471

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 18 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 8.7 -35.79 2 2 1 26 250.406 8
Hi High (pH 8-9.5) 4.18 7.58 -2.03 1 2 0 21 249.398 8

Activity (Go SEA)

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