UCSF

ZINC59996705

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 26 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) 8.25 14.93 -97.5 3 2 2 21 368.694 11
Mid Mid (pH 6-8) 8.25 13.85 -27.81 2 2 1 20 367.686 11

Activity (Go SEA)

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