UCSF

ZINC71524201

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 27 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) 2.10 9.51 -38.1 2 6 1 64 357.441 4
Mid Mid (pH 6-8) 2.10 9.04 -14.75 1 6 0 63 356.433 4
Mid Mid (pH 6-8) 2.10 10.83 -43.96 2 6 1 64 357.441 4
Lo Low (pH 4.5-6) 2.10 11.29 -107.2 3 6 2 65 358.449 4

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

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