UCSF

ZINC33835399

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 18 No

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) 3.89 5.37 -7.22 1 3 0 42 241.29 3
Hi High (pH 8-9.5) 3.89 6.15 -49.04 0 3 -1 45 240.282 3
Lo Low (pH 4.5-6) 3.89 5.83 -31.03 2 3 1 43 242.298 3

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