UCSF

ZINC02507638

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 17 Yes

CAS Number: 201730-11-2

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) -2.25 4.78 -167.51 3 7 -2 148 237.167 4
Lo Low (pH 4.5-6) -2.25 2.8 -96.27 4 7 -1 145 238.175 4
Lo Low (pH 4.5-6) -2.25 2.77 -86.32 4 7 -1 145 238.175 4

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

No pre-computed analogs available. Try a structural similarity search.