UCSF

ZINC44865583

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 18 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) 0.41 0.55 -10.7 4 6 0 101 250.302 6
Lo Low (pH 4.5-6) 0.41 1.02 -41.8 5 6 1 102 251.31 6

Activity (Go SEA)

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