UCSF

ZINC04062838

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 11 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) 0.00 -2.54 -12.99 1 5 0 72 176.197 2
Hi High (pH 8-9.5) 0.00 -1.98 -41.43 0 5 -1 74 175.189 2

Activity (Go SEA)

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