UCSF

ZINC98088371

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2014 32 Yes

CAS Number: 959122-11-3

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.35 13.33 -62.68 2 6 -1 98 427.48 6
Lo Low (pH 4.5-6) 5.35 10.74 -23.1 3 6 0 95 428.488 6

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

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