UCSF

ZINC04001666

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 27 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) 1.81 5.39 -18.58 1 7 0 85 388.445 4
Hi High (pH 8-9.5) 1.81 5.52 -55.59 0 7 -1 87 387.437 4

Activity (Go SEA)

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