UCSF

ZINC70670072

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2011 40 No

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 11.83 -37.16 3 8 0 97 544.627 7
Hi High (pH 8-9.5) 3.01 10.84 -54.44 2 8 -1 93 543.619 7
Mid Mid (pH 6-8) 3.01 13.18 -78.19 3 8 0 94 544.627 7
Lo Low (pH 4.5-6) 3.01 14.17 -82.42 4 8 1 99 545.635 7

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

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