UCSF

ZINC04291115

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 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) 4.28 11.04 -15.36 2 10 0 112 478.553 10
Lo Low (pH 4.5-6) 4.46 11.17 -35.94 3 10 1 117 479.561 10

Activity (Go SEA)

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