UCSF

ZINC21986030

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 26 No

CAS Number: 100986-85-4

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) 2.56 6.2 -63 1 6 0 60 361.417 2
Mid Mid (pH 6-8) 1.53 5.92 -47.03 1 6 1 54 362.425 2
Mid Mid (pH 6-8) 1.53 3.45 -17.89 0 6 0 53 361.417 2

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

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