UCSF

ZINC00190245

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 24 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) 1.87 0.72 -12.26 1 7 0 81 321.34 3
Lo Low (pH 4.5-6) 2.04 0.82 -38.08 2 7 1 86 322.348 3

Activity (Go SEA)

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