UCSF

ZINC04157609

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 4.97 1.52 -14.51 1 5 0 55 397.478 7
Mid Mid (pH 6-8) 4.97 1.7 -31.9 2 5 1 56 398.486 7

Activity (Go SEA)

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