UCSF

ZINC60130690

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2011 25 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) 7.95 17.22 -67.4 1 3 0 45 355.607 20
Lo Low (pH 4.5-6) 7.95 15.25 -34.83 2 3 1 42 356.615 20

Activity (Go SEA)

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