UCSF

ZINC02598164

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2004 14 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) 3.21 7.45 -36.05 1 2 1 14 259.167 5
Hi High (pH 8-9.5) 3.21 5.07 -3.13 0 2 0 12 258.159 5

Activity (Go SEA)

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