UCSF

ZINC34994162

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 16 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) 0.19 5.4 -61.82 2 5 1 80 223.252 6
Hi High (pH 8-9.5) 0.19 4.04 -11.02 1 5 0 75 222.244 6

Activity (Go SEA)

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