UCSF

ZINC41678722

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 20 No

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) 1.60 8.32 -11.68 1 5 0 64 312.416 5
Hi High (pH 8-9.5) 2.05 7.18 -38.07 0 5 -1 67 311.408 5

Activity (Go SEA)

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