UCSF

ZINC33750600

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 13 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) 0.95 4.53 -9 0 3 0 33 178.235 3
Lo Low (pH 4.5-6) 0.95 4.99 -42.33 1 3 1 34 179.243 3

Activity (Go SEA)

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