UCSF

ZINC62533250

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2011 17 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) 0.73 4.42 -38.7 2 5 1 52 245.343 6
Hi High (pH 8-9.5) 0.73 2.53 -4.93 1 5 0 51 244.335 6

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

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