UCSF

ZINC65320222

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 33 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) 4.07 11.68 -19.27 1 7 0 66 460.969 4
Lo Low (pH 4.5-6) 4.07 13.96 -55.26 2 7 1 67 461.977 4

Activity (Go SEA)

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