UCSF

ZINC95949907

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2014 35 No

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) 7.17 13.9 -53.18 1 4 -1 69 477.713 1
Mid Mid (pH 6-8) 7.17 13.96 -54.96 1 4 -1 69 477.713 1
Lo Low (pH 4.5-6) 7.17 14.06 -77.23 2 4 0 70 478.721 1

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

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