UCSF

ZINC95942411

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2014 27 Yes

Other Names:

MFCD01861353

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) 3.47 12.13 -75.38 3 5 0 94 367.445 10
Mid Mid (pH 6-8) 3.47 11.79 -49.26 2 5 -1 92 366.437 10
Lo Low (pH 4.5-6) 3.47 10.15 -53.68 4 5 1 91 368.453 10

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

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