UCSF

ZINC34855088

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -3.20 -2.86 -97.26 11 11 1 210 361.423 13
Hi High (pH 8-9.5) -3.33 -3.21 -69.17 10 11 0 211 360.415 12
Hi High (pH 8-9.5) -3.20 -3.27 -70.7 10 11 0 208 360.415 13

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