UCSF

ZINC02504562

Substance Information

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

CAS Number: 19953-58-3

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) 2.20 4.89 -13.56 1 4 0 50 225.251 1
Mid Mid (pH 6-8) 2.20 5.97 -40.09 0 4 -1 53 224.243 1
Lo Low (pH 4.5-6) 2.20 6.38 -20.38 1 4 0 55 225.251 1

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

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