UCSF

ZINC36785040

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 1.07 3.16 -106.88 4 3 2 35 239.407 4
Hi High (pH 8-9.5) 1.07 2.5 -34.82 3 3 1 34 238.399 4
Hi High (pH 8-9.5) 1.07 0.72 -40.53 3 3 1 34 238.399 4
Mid Mid (pH 6-8) 1.07 3.25 -117.5 4 3 2 35 239.407 4
Lo Low (pH 4.5-6) 1.07 5.1 -215.96 5 3 3 37 240.415 4

Activity (Go SEA)

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