UCSF

ZINC52287542

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 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) 1.43 5.39 -40.26 2 3 1 34 200.693 3
Hi High (pH 8-9.5) 1.43 4.09 -4.04 1 3 0 30 199.685 3

Activity (Go SEA)

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