UCSF

ZINC34054579

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2009 25 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) 1.97 0.76 -16.53 4 9 0 126 351.407 8
Lo Low (pH 4.5-6) 1.97 1.15 -39.83 5 9 1 127 352.415 8

Activity (Go SEA)

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