UCSF

ZINC40449022

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 15 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) 2.11 4.18 -26.42 4 4 1 65 204.253 3
Hi High (pH 8-9.5) 2.11 4.05 -8 3 4 0 64 203.245 3
Mid Mid (pH 6-8) 2.11 4.08 -6.7 3 4 0 64 203.245 3

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

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