UCSF

ZINC38449852

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2010 32 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) 3.88 12.35 -14.81 4 9 0 127 426.484 4
Lo Low (pH 4.5-6) 3.88 12.72 -37.03 5 9 1 129 427.492 4

Activity (Go SEA)

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