UCSF

ZINC33762558

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 31 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) 1.83 6.96 -58.34 1 7 -1 103 415.425 6
Lo Low (pH 4.5-6) 1.83 5.66 -23.33 2 7 0 100 416.433 6

Activity (Go SEA)

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