UCSF

ZINC35503253

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 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) 3.49 7.87 -45.49 3 3 1 46 301.435 3
Hi High (pH 8-9.5) 3.49 6.57 -8.04 2 3 0 41 300.427 3

Activity (Go SEA)

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