UCSF

ZINC34563736

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 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) 1.16 5.3 -22.51 2 5 0 70 274.32 5
Hi High (pH 8-9.5) 1.16 6.51 -66.84 1 5 -1 72 273.312 5

Activity (Go SEA)

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