UCSF

ZINC43261977

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 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) 2.37 3.55 -30.66 4 3 1 51 322.292 8
Hi High (pH 8-9.5) 2.37 1.57 -4.08 3 3 0 49 321.284 8
Mid Mid (pH 6-8) 2.37 1.82 -53.53 4 3 1 51 322.292 8
Lo Low (pH 4.5-6) 2.37 3.87 -128.29 5 3 2 52 323.3 8

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