UCSF

ZINC42560620

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 0.53 4.18 -8.7 3 5 0 75 236.319 4
Mid Mid (pH 6-8) 0.53 4.17 -8.84 3 5 0 75 236.319 4
Lo Low (pH 4.5-6) 0.53 4.27 -34.16 4 5 1 76 237.327 4

Activity (Go SEA)

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