UCSF

ZINC24391884

Substance Information

In ZINC since Heavy atoms Benign functionality
January 16th, 2009 31 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) 2.16 15.67 -25.9 0 9 0 100 420.473 6
Lo Low (pH 4.5-6) 2.16 15.29 -43.23 1 9 1 101 421.481 6

Activity (Go SEA)

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