UCSF

ZINC44106982

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) 3.34 6.9 -36.9 2 3 1 35 252.378 8
Hi High (pH 8-9.5) 3.34 5.79 -3.01 1 3 0 30 251.37 8

Activity (Go SEA)

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