UCSF

ZINC02017840

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 20 Yes

Popular Name: SCH23390 SCH23390

Find On: PubMed — Wikipedia — Google

CAS Number: 125941-87-9

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) 3.89 8.17 -45.57 2 2 1 25 288.798 1 ↓
Hi High (pH 8-9.5) 3.89 8.92 -66.56 1 2 0 27 287.79 1 ↓
Hi High (pH 8-9.5) 3.89 6.62 -44.23 0 2 -1 26 286.782 1 ↓
Hi High (pH 8-9.5) 3.89 5.87 -4.09 1 2 0 23 287.79 1 ↓

Activity (Go SEA)

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