UCSF

ZINC31977332

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 0.88 4.69 -42.13 1 4 1 33 225.341 2
Hi High (pH 8-9.5) 0.88 2.7 -47.16 0 4 -1 32 223.325 2
Mid Mid (pH 6-8) 0.88 2.22 -8.22 0 4 0 32 224.333 2

Activity (Go SEA)

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