UCSF

ZINC50106170

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2010 19 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) 0.78 6.63 -34.92 4 7 1 93 269.373 8
Hi High (pH 8-9.5) 0.78 4.82 -8.5 3 7 0 91 268.365 8

Activity (Go SEA)

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