UCSF

ZINC39767162

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 31 No

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Annotations

Vendors

    None

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) 3.11 8.44 -17.95 2 10 0 129 440.485 7
Mid Mid (pH 6-8) 3.11 8.24 -47.31 1 10 -1 127 439.477 7

Activity (Go SEA)

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