UCSF

ZINC34992522

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 20 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) 3.33 4.83 -48.46 3 4 1 55 352.199 8
Hi High (pH 8-9.5) 3.33 3.44 -11.05 2 4 0 50 351.191 8

Activity (Go SEA)

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