UCSF

ZINC32606048

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2009 33 Yes

Download: MOL2 SDF SMILES Flexibase

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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) 3.20 9.66 -32.56 2 7 0 101 455.392 5
Mid Mid (pH 6-8) 4.50 9.27 -48.71 1 7 -1 104 454.384 5
Lo Low (pH 4.5-6) 3.19 9.97 -35.01 3 7 1 102 456.4 5

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