UCSF

ZINC02576407

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 11 Yes

CAS Number: 70824-86-1

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) 1.28 4.11 -42.22 3 1 1 28 154.208 3
Hi High (pH 8-9.5) 1.28 3.82 -3.77 2 1 0 26 153.2 3

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Rings

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