UCSF

ZINC39856461

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 6.01 12.83 -18.02 1 4 0 51 380.513 7
Hi High (pH 8-9.5) 6.20 10.44 -46.92 0 4 -1 58 379.505 7

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