UCSF

ZINC44869053

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 19 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) 1.09 2.26 -13.05 3 6 0 92 264.329 5
Lo Low (pH 4.5-6) 1.09 2.72 -45.51 4 6 1 93 265.337 5

Activity (Go SEA)

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