UCSF

ZINC53517158

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 24 Yes

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) 2.94 8.11 -49.55 2 6 -1 98 322.344 5
Lo Low (pH 4.5-6) 2.94 6.56 -32.93 4 6 1 96 324.36 5
Lo Low (pH 4.5-6) 2.94 8.54 -59.71 3 6 0 99 323.352 5

Activity (Go SEA)

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