UCSF

ZINC39354316

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2010 30 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) 7.18 16.17 -8.6 0 2 0 18 420.959 6
Lo Low (pH 4.5-6) 7.18 16.54 -21.97 1 2 1 19 421.967 6

Activity (Go SEA)

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