UCSF

ZINC00000610

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 21 No

CAS Number: 59-96-1

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) 4.36 11.61 -37.43 1 2 1 14 304.841 8
Hi High (pH 8-9.5) 4.36 9.59 -3.85 0 2 0 12 303.833 8

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