UCSF

ZINC31158164

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2009 35 No

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) 4.63 6.71 -53.67 3 5 -1 101 487.701 2
Lo Low (pH 4.5-6) 4.63 4.74 -8.06 4 5 0 98 488.709 2

Activity (Go SEA)

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