UCSF

ZINC02384945

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 13 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) -2.99 -3.54 -61.9 4 6 0 106 188.183 3
Hi High (pH 8-9.5) -2.99 -4.83 -47.19 3 6 -1 101 187.175 3

Activity (Go SEA)

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