UCSF

ZINC33404034

Substance Information

In ZINC since Heavy atoms Benign functionality
July 9th, 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) 1.19 9.44 -47.19 0 9 -1 132 415.385 6
Lo Low (pH 4.5-6) 1.19 8.15 -22.61 1 9 0 129 416.393 6

Activity (Go SEA)

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