UCSF

ZINC09273558

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 34 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) 6.07 1.52 -17.64 0 4 0 46 463.606 6
Lo Low (pH 4.5-6) 6.07 1.63 -56.95 1 4 1 47 464.614 6

Activity (Go SEA)

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