UCSF

ZINC95067983

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2013 18 Yes

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) 1.99 5.03 -57.91 1 5 -1 78 254.306 3
Lo Low (pH 4.5-6) 1.99 3.06 -16.89 2 5 0 76 255.314 3

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

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