UCSF

ZINC36160896

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 27 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) 2.67 7.7 -50.4 3 6 1 80 394.561 9
Hi High (pH 8-9.5) 3.12 5.15 -42.89 2 6 0 83 393.553 9

Activity (Go SEA)

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