UCSF

ZINC34681016

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 35 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) 4.22 12.27 -16.07 1 7 0 75 472.589 7
Lo Low (pH 4.5-6) 4.22 12.57 -47.73 2 7 1 76 473.597 7

Activity (Go SEA)

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