UCSF

ZINC30691414

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2009 22 Yes

Popular Name: Vildagliptin Vildagliptin

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CAS Number: 274901-16-5

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) 1.42 4.08 -53.53 3 5 1 81 304.414 3 ↓
Hi High (pH 8-9.5) 1.42 2.82 -15.72 2 5 0 76 303.406 3 ↓

Activity (Go SEA)

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