UCSF

ZINC17315505

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2008 28 No

CAS Number: [3943-82-6]

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) 7.23 12.6 -6.63 1 2 0 24 390.958 5
Mid Mid (pH 6-8) 7.23 13.41 -19.08 2 2 1 26 391.966 5

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