UCSF

ZINC39917203

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 30 Yes

Download: MOL2 SDF SMILES Flexibase

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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) 4.48 12.12 -42.74 1 5 1 35 407.582 8
Mid Mid (pH 6-8) 4.48 12.97 -87.43 2 5 2 36 408.59 8
Mid Mid (pH 6-8) 4.48 12.02 -38.76 1 5 1 35 407.582 8
Mid Mid (pH 6-8) 4.48 9.76 -10.52 0 5 0 34 406.574 8

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