UCSF

ZINC58392421

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2011 28 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) 0.92 6.53 -53.47 3 7 1 83 454.389 9
Hi High (pH 8-9.5) 0.92 4.59 -23.66 2 7 0 82 453.381 9

Activity (Go SEA)

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