UCSF

ZINC36981849

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 19 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) 3.86 6.74 -5.04 1 3 0 34 341.636 4
Lo Low (pH 4.5-6) 3.86 7.2 -38.38 2 3 1 35 342.644 4

Activity (Go SEA)

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