UCSF

ZINC35022220

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 18 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) 4.49 10.81 -35.77 1 2 1 22 268.446 9
Hi High (pH 8-9.5) 4.49 8.77 -6.16 0 2 0 20 267.438 9

Activity (Go SEA)

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