UCSF

ZINC03830923

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 36 No

CAS Numbers: 57852-57-0 , 58957-92-9

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) 0.89 1.21 -55.7 7 10 1 178 498.508 3
Hi High (pH 8-9.5) 0.89 0.83 -18.21 6 10 0 177 497.5 3

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