UCSF

ZINC41681402

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.01 4.55 -16.01 2 5 0 76 251.282 6
Hi High (pH 8-9.5) 2.01 5.55 -59.41 1 5 -1 78 250.274 6

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Rings

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