UCSF

ZINC39891413

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 31 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) 5.97 11.61 -20.26 1 6 0 70 434.517 7
Hi High (pH 8-9.5) 6.15 9.03 -48.45 0 6 -1 76 433.509 7

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