UCSF

ZINC19407408

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 17 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) 3.47 5.1 -48.37 3 2 1 31 318.304 4
Lo Low (pH 4.5-6) 3.47 7.33 -131.64 4 2 2 32 319.312 4

Activity (Go SEA)

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