UCSF

ZINC02899182

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 23 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) 1.73 2.66 -13.89 3 7 0 100 313.313 5
Hi High (pH 8-9.5) 1.73 3.58 -56.36 2 7 -1 103 312.305 5

Activity (Go SEA)

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