UCSF

ZINC09560720

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2007 26 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) 3.25 7.92 -14.06 1 6 0 73 373.478 5
Hi High (pH 8-9.5) 3.25 8.04 -43.88 0 6 -1 75 372.47 5

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

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