UCSF

ZINC26007973

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2009 30 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) 3.91 9.82 -53.96 3 7 1 81 434.944 11
Hi High (pH 8-9.5) 3.91 7.51 -20.62 2 7 0 80 433.936 11

Activity (Go SEA)

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