UCSF

ZINC33763512

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 33 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) 2.61 8.98 -58.94 1 7 -1 103 443.479 8
Lo Low (pH 4.5-6) 2.61 7.69 -23.58 2 7 0 100 444.487 8

Activity (Go SEA)

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