UCSF

ZINC00000583

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 22 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) 1.73 6.64 -57.96 1 4 1 40 300.378 1
Hi High (pH 8-9.5) 1.73 4.97 -13.48 0 4 0 39 299.37 1

Activity (Go SEA)

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