UCSF

ZINC41681401

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 21 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) 2.77 6.18 -16.66 2 5 0 76 287.315 6
Hi High (pH 8-9.5) 2.77 7.18 -61.33 1 5 -1 78 286.307 6

Activity (Go SEA)

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