UCSF

ZINC59539555

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 35 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) 9.30 23.04 -93.96 0 4 -2 80 490.769 24
Lo Low (pH 4.5-6) 9.30 21.07 -50.9 1 4 -1 77 491.777 24

Activity (Go SEA)

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