UCSF

ZINC04128660

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 15 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) 2.01 5.51 -36.93 1 3 1 23 208.281 2
Hi High (pH 8-9.5) 2.01 3.1 -4.7 0 3 0 22 207.273 2

Activity (Go SEA)

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