UCSF

ZINC13522679

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 14 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) -3.92 -9.38 -17.2 6 7 0 138 210.182 6
Hi High (pH 8-9.5) -3.92 -8.63 -59.25 5 7 -1 141 209.174 6

Activity (Go SEA)

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