UCSF

ZINC34986598

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 17 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) 3.41 9.52 -39.49 1 1 1 4 238.301 2
Hi High (pH 8-9.5) 3.41 7.16 -3.79 0 1 0 3 237.293 2

Activity (Go SEA)

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