UCSF

ZINC39856629

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 32 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) 7.99 14.89 -18.44 1 4 0 51 515.517 9
Hi High (pH 8-9.5) 8.16 12.5 -45.45 0 4 -1 58 514.509 9

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