UCSF

ZINC98091852

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2014 31 No

CAS Number: 160096-59-3

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) 2.23 7.03 -24.85 2 8 0 112 428.437 11
Hi High (pH 8-9.5) 2.98 6.18 -51.59 2 8 -1 118 427.429 10

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

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