UCSF

ZINC13478598

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 34 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) 3.01 2.59 -66.3 3 9 -1 140 509.004 9
Mid Mid (pH 6-8) 2.53 -1.32 -52.6 5 9 1 142 511.02 9
Mid Mid (pH 6-8) 2.53 0.03 -49.94 5 9 1 142 511.02 9
Mid Mid (pH 6-8) 2.53 -1.13 -51.27 5 9 1 142 511.02 9
Mid Mid (pH 6-8) 2.53 0.22 -48.43 5 9 1 142 511.02 9
Lo Low (pH 4.5-6) 3.38 4.53 -22.33 4 9 0 134 510.012 8

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

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