UCSF

ZINC03766513

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2004 33 No

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Annotations

None

Vendors

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) 1.41 -2.72 -61.72 4 9 1 129 455.487 11
Mid Mid (pH 6-8) 0.82 -2.82 -73.16 3 9 1 126 455.487 11

Activity (Go SEA)

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