UCSF

ZINC44245685

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 19 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) 3.36 3.82 -34.71 0 4 -1 61 364.603 3
Lo Low (pH 4.5-6) 3.36 3.79 -9.54 1 4 0 59 365.611 3

Activity (Go SEA)

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