UCSF

ZINC58465386

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2011 20 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) 1.42 5.08 -10.87 0 5 0 36 277.368 4
Lo Low (pH 4.5-6) 1.42 7.2 -46.31 1 5 1 37 278.376 4

Activity (Go SEA)

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