UCSF

ZINC02491970

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 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) 0.33 0.83 -12.04 1 5 0 64 202.185 4
Hi High (pH 8-9.5) 0.79 -1.69 -52.7 0 5 -1 67 201.177 4

Activity (Go SEA)

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