UCSF

ZINC59053010

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2011 21 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) -1.14 -2.57 -17.76 1 8 0 90 296.327 3
Mid Mid (pH 6-8) -1.14 0.44 -65.74 2 8 1 91 297.335 3
Mid Mid (pH 6-8) -1.14 0.4 -66.48 2 8 1 91 297.335 3

Activity (Go SEA)

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