UCSF

ZINC43262339

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 20 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) 1.99 3.94 -31.26 4 4 1 60 361.329 5
Hi High (pH 8-9.5) 1.99 2.36 -53.47 4 4 1 60 361.329 5
Hi High (pH 8-9.5) 1.99 2.09 -10.16 3 4 0 58 360.321 5
Mid Mid (pH 6-8) 1.99 4.22 -108.73 5 4 2 61 362.337 5

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