UCSF

ZINC33785785

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 31 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) 4.92 5.33 -14.09 0 7 0 87 406.401 4
Lo Low (pH 4.5-6) 4.92 5.79 -46.3 1 7 1 88 407.409 4

Activity (Go SEA)

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