UCSF

ZINC31890261

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 15 No

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) 1.89 5.35 -40.8 1 3 1 21 244.409 3
Hi High (pH 8-9.5) 1.89 3.45 -47.33 0 3 -1 19 242.393 3
Mid Mid (pH 6-8) 1.89 2.98 -5.02 0 3 0 19 243.401 3

Activity (Go SEA)

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