UCSF

ZINC63933734

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2011 41 No

Popular Name: tinib tinib

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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) 5.34 10.45 -18.49 3 10 0 123 553.598 7 ↓
Ref Reference (pH 7) 4.96 8.16 -17.28 3 10 0 127 553.598 8 ↓
Lo Low (pH 4.5-6) 4.96 9.11 -49.24 4 10 1 128 554.606 8 ↓

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Rings

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

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