UCSF

ZINC36176994

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 25 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) 5.33 13.44 -34.87 1 2 1 22 334.483 3
Hi High (pH 8-9.5) 5.33 11.88 -6.8 0 2 0 20 333.475 3

Activity (Go SEA)

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