UCSF

ZINC00751898

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2005 26 No

Popular Name: CID 1067700 CID 1067700

Find On: PubMed — Wikipedia — Google

CAS Number: 314042-01-8

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) 3.28 9.19 -51.97 2 6 -1 90 389.478 5 ↓
Hi High (pH 8-9.5) 3.32 9 -121.36 1 6 -2 91 388.47 4 ↓

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

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