UCSF

ZINC06414055

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 27 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) 0.41 -0.32 -18.18 3 8 0 120 373.361 8
Mid Mid (pH 6-8) -0.17 0.39 -24.71 2 8 0 117 373.361 8

Activity (Go SEA)

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