UCSF

ZINC43769725

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 35 No

CAS Number: 12650-69-0

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) 3.53 6.17 -54.68 3 9 -1 149 499.621 17
Lo Low (pH 4.5-6) 3.53 4.2 -16.45 4 9 0 146 500.629 17

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