UCSF

ZINC52291831

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 14 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) 0.64 2.29 -9.38 3 4 0 68 191.234 3
Lo Low (pH 4.5-6) 0.64 2.62 -34.83 4 4 1 69 192.242 3

Activity (Go SEA)

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