UCSF

ZINC64817766

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 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) 1.29 8.33 -17.41 1 7 0 80 375.432 5
Lo Low (pH 4.5-6) 1.29 8.8 -50.61 2 7 1 81 376.44 5

Activity (Go SEA)

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