UCSF

ZINC98230567

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2014 31 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) -5.46 -18.61 -229.23 17 14 3 267 457.501 6
Hi High (pH 8-9.5) -5.46 -19.26 -48.69 15 14 1 264 455.485 6
Hi High (pH 8-9.5) -5.46 -18.92 -134.47 16 14 2 266 456.493 6
Mid Mid (pH 6-8) -5.46 -18.21 -325.98 18 14 4 269 458.509 6

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

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