UCSF

ZINC95474463

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2013 27 Yes

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) 3.17 12.26 -46.06 1 5 1 43 361.469 3
Hi High (pH 8-9.5) 3.17 10.08 -11.32 0 5 0 41 360.461 3

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

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