UCSF

ZINC36977601

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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) -4.01 -3.97 -60.87 4 9 -1 155 256.194 5
Hi High (pH 8-9.5) -3.55 -5.81 -106.76 3 9 -2 158 255.186 5

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Rings

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