UCSF

ZINC65344624

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2011 16 Yes

Other Names:

MFCD11876892

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) 1.48 3.52 -58.06 1 5 -1 86 215.188 2
Hi High (pH 8-9.5) 1.94 1.35 -104.13 0 5 -2 89 214.18 2

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.