UCSF

ZINC34975218

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 18 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) 3.80 7 -6.85 2 3 0 52 261.346 3
Lo Low (pH 4.5-6) 3.80 6.81 -37.28 3 3 1 54 262.354 3

Activity (Go SEA)

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