UCSF

ZINC96210141

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2014 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.53 9.35 -37.31 1 7 1 57 395.531 3
Hi High (pH 8-9.5) 1.53 7 -8.47 0 7 0 56 394.523 3
Mid Mid (pH 6-8) 1.53 11.71 -91.84 2 7 2 58 396.539 3

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

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