UCSF

ZINC40685594

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2010 34 No

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) 1.50 -1.53 -57.98 6 13 1 197 472.434 6
Hi High (pH 8-9.5) 1.50 -2.96 -17.84 5 13 0 202 471.426 6

Activity (Go SEA)

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