UCSF

ZINC44095892

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) 3.28 6.22 -33.13 2 3 1 35 252.378 6
Hi High (pH 8-9.5) 3.28 5.42 -3.84 1 3 0 30 251.37 6

Activity (Go SEA)

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