UCSF

ZINC35728227

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 17 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) 1.53 2.39 -37.01 3 4 1 49 238.355 1
Hi High (pH 8-9.5) 1.53 1.19 -9.23 2 4 0 44 237.347 1
Mid Mid (pH 6-8) 1.53 3.69 -100.2 4 4 2 54 239.363 1

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