UCSF

ZINC69149175

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 24 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) 2.70 7.13 -12.85 2 6 0 79 362.377 6
Hi High (pH 8-9.5) 2.70 6.15 -37.98 1 6 -1 81 361.369 6
Mid Mid (pH 6-8) 2.70 7.11 -39.23 3 6 1 80 363.385 5
Mid Mid (pH 6-8) 2.70 7.23 -38.44 3 6 1 80 363.385 6

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

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